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13557-98-7

13557-98-7 structural image
Product Name: butyl 2-(2,4,5-trichlorophenoxy)propionate
Formula: C13H15Cl3O3
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1952.3

COMPUTED DESCRIPTORS

Molecular Weight 325.6 g/mol
XLogP3 5.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 7
Exact Mass 324.008677 g/mol
Monoisotopic Mass 324.008677 g/mol
Topological Polar Surface Area 35.5 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 288
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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